SCHEMBL4611243

SCHEMBL4611243

CCCC(=O)P(=O)(OCC(C)C)OCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ENPP2 Q13822 5/20 0.32
LPAR6 P43657 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR4 Q99677 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4610207 0.83 TSHR (0.33) ALDH1A1CYP3A4GAATSHRMEN1
SCHEMBL2984011 0.79 CA12 (0.45) ALDH1A1CES2CES1TSHRFFAR3
SCHEMBL2978635 0.77 ALDH1A1 (0.38) ALDH1A1CES2CES1LPAR1LPAR2
SCHEMBL27944561 0.74 TSHR (0.32) ALDH1A1CYP3A4GAATSHR
SCHEMBL4609828 0.74 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL4609160 0.74 TSHR (0.40) ALDH1A1CYP3A4GAATSHRMEN1
SCHEMBL4610186 0.73 CYP3A4 (0.52) ALDH1A1LPAR1LPAR2LPAR3CYP3A4
SCHEMBL4609917 0.72 TSHR (0.34) ALDH1A1CYP3A4GAALMNATSHR
SCHEMBL4609568 0.72 ALDH1A1 (0.33) ALDH1A1CES2CES1LMNATSHR
SCHEMBL4609573 0.72 ALDH1A1 (0.33) ALDH1A1CES2CES1LMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
EP-1419182-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6610804-B2 An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-08-26 US disclosed
US-6576725-B1 Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization BRIDGESTONE CORPORATION (JP) 2003-06-10 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
WO-2003018644-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-03-06 WO disclosed